CID 3020591

1-(methoxymethyl)propyl acrylate

Structural Information

Molecular Formula
C8H14O3
SMILES
CCC(COC)OC(=O)C=C
InChI
InChI=1S/C8H14O3/c1-4-7(6-10-3)11-8(9)5-2/h5,7H,2,4,6H2,1,3H3
InChIKey
UGUWQOBYUTTXNN-UHFFFAOYSA-N
Compound name
1-methoxybutan-2-yl prop-2-enoate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

0
References

5
Patents

158.0943 Da
Monoisotopic Mass

1.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 159.101576 134.5
[M+Na]+ 181.083518 141.1
[M-H]- 157.087024 134.7
[M+NH4]+ 176.128123 155.5
[M+K]+ 197.057458 141.5
[M+H-H2O]+ 141.091560 129.7
[M+HCOO]- 203.092501 156.8
[M+CH3COO]- 217.108151 178.3
[M+Na-2H]- 179.068966 138.1
[M]+ 158.09375142 138.2
[M]- 158.09484858 138.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

No literature data available for this compound.

Patent stripe

patents stripe